CID 505003

N-(2-naphthylmethyl)-3-oxo-n-phenyl-3-thiazol-2-yl-propanamide

Structural Information

Molecular Formula
C23H18N2O2S
SMILES
C1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CS4
InChI
InChI=1S/C23H18N2O2S/c26-21(23-24-12-13-28-23)15-22(27)25(20-8-2-1-3-9-20)16-17-10-11-18-6-4-5-7-19(18)14-17/h1-14H,15-16H2
InChIKey
KGRZZIFYHMFNGO-UHFFFAOYSA-N
Compound name
N-(naphthalen-2-ylmethyl)-3-oxo-N-phenyl-3-(1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1089 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11618 192.5
[M+Na]+ 409.09812 199.1
[M-H]- 385.10162 203.1
[M+NH4]+ 404.14272 205.3
[M+K]+ 425.07206 193.7
[M+H-H2O]+ 369.10616 182.9
[M+HCOO]- 431.10710 211.1
[M+CH3COO]- 445.12275 202.6
[M+Na-2H]- 407.08357 194.1
[M]+ 386.10835 196.9
[M]- 386.10945 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.